Identification | Back Directory | [Name]
1,4-DIBROMO-2,5-DIIODOBENZENE | [CAS]
63262-06-6 | [Synonyms]
EA088 JACS-63262-06-6 1,4-DIBROMO-2,5-DIIODOBENZENE 1,4-dibroMo-2,5-diiodobenzenex 1,4-Dibromo-2,5-diiodobenzene99% Benzene, 1,4-dibromo-2,5-diiodo- 1,4-Dibromo-2,5-diiodobenzene> 1,4-Dibromo-2,5-diiodobenzene 99% OC1702, 1,4-Dibromo-2,5-diiodobenzene | [Molecular Formula]
C6H2Br2I2 | [MDL Number]
MFCD00082898 | [MOL File]
63262-06-6.mol | [Molecular Weight]
487.7 |
Chemical Properties | Back Directory | [Melting point ]
163-165℃ | [Boiling point ]
377.2±42.0 °C(Predicted) | [density ]
2.938 | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [solubility ]
soluble in Toluene | [form ]
powder to crystal | [color ]
White to Almost white | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C6H2Br2I2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H | [InChIKey]
IVKPEQAIHJWGGT-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC(I)=C(Br)C=C1I |
Hazard Information | Back Directory | [Uses]
1,4-Dibromo-2,5-diiodobenzene is a useful synthetic intermediate in the synthesis of Benzo[1,2-b:4,5-b'']dithiophene (B200100); a reagent in the synthesis of high-crystalline medium-band-gap polymers used for organic photovoltaic cells. Benzo[1,2-b:4,5-b'']dithiophene is also a precursor in the preparation of benzodithiophene derivatives which are useful as hole injection material, hole transport material, or fluorescent material in organic electroluminescence devices. | [Synthesis]
General procedure for the synthesis of 1,4-dibromo-2,5-diiodobenzene from 1,4-dibromobenzene: In a three-necked flask equipped with a 1-liter mechanical stirrer, 16.7 g (73.0 mmol) of periodic acid and 525 ml of sulfuric acid were added. After the periodate was completely dissolved, 36.4 g (219 mmol) of potassium iodide was added in batches. The reaction mixture was cooled to -30°C, followed by the slow addition of 34.5 g (146 mmol) of 1,4-dibromobenzene over 5 min. The resulting mixture was stirred continuously at -25°C for 36 hours. Upon completion of the reaction, the mixture was poured into 2 Kg of ice and the solid product was collected by filtration. The solid was dissolved in chloroform and the organic phase was washed sequentially with 5% aqueous sodium hydroxide and deionized water, then dried with anhydrous magnesium sulfate. After concentration under reduced pressure, the residue was recrystallized by chloroform to give 36.0 g of white crystals (50% yield).1H NMR (CDCl3, 21 °C): δ = 8.02 (s, 2H). The 1H NMR spectrum was consistent with the data reported in the literature for 1,4-dibromo-2,5-diiodobenzene, confirming the successful synthesis of the target product. | [References]
[1] Organic Letters, 2009, vol. 11, # 20, p. 4656 - 4659 [2] Journal of Organic Chemistry, 2003, vol. 68, # 23, p. 8750 - 8766 [3] Journal of the American Chemical Society, 2011, vol. 133, # 10, p. 3284 - 3287 [4] Patent: CN106543216, 2017, A. Location in patent: Paragraph 0023; 0024; 0036; 0043 [5] Patent: CN108117563, 2018, A. Location in patent: Paragraph 0028; 0029; 0030 |
|
|